2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C12H13F2N3 — CID 114527510

IUPAC2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCn1ccnc1CCNc1c(F)cccc1F
InChIInChI=1S/C12H13F2N3/c1-17-8-7-15-11(17)5-6-16-12-9(13)3-2-4-10(12)14/h2-4,7-8,16H,5-6H2,1H3
InChIKeyHVVLYGMNHAEETE-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.35
Rot. Bonds4

About 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527510) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527510
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCn1ccnc1CCNc1c(F)cccc1F
InChIInChI=1S/C12H13F2N3/c1-17-8-7-15-11(17)5-6-16-12-9(13)3-2-4-10(12)14/h2-4,7-8,16H,5-6H2,1H3
InChIKeyHVVLYGMNHAEETE-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62661928
N-[2-(1-methylimidazol-2-yl)ethyl]-4-methylsulfanylaniline
CID 114527448
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527506
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
4-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527511
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527491
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295828

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527510) is 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is Cn1ccnc1CCNc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is HVVLYGMNHAEETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-17-8-7-15-11(17)5-6-16-12-9(13)3-2-4-10(12)14/h2-4,7-8,16H,5-6H2,1H3.
What are the key properties of 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 237.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).